SCHEMBL417125

SCHEMBL417125

COC(=O)c1cc(OCCC(C)C)cc([N+](=O)[O-])c1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.62
HTT P42858 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KMT2A Q03164 8/20 0.45
MEN1 O00255 7/20 0.45
ALDH1A1 P00352 3/20 0.45
HPGD P15428 1/20 0.45
APOBEC3G Q9HC16 1/20 0.45
MAPT P10636 4/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
LMNA P02545 2/20 0.44
RECQL P46063 1/20 0.43
DUSP3 P51452 1/20 0.43
PTPN5 P54829 1/20 0.43
PTPN11 Q06124 1/20 0.43
MAPK1 P28482 1/20 0.43
POLB P06746 2/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10137580 0.90 GAA (0.50) GAAHTTKMT2AMEN1ALDH1A1
SCHEMBL418688 0.87 MAPK1 (0.55) GAAHTTKMT2AMEN1ALDH1A1
SCHEMBL16245017 0.82 KMT2A (0.54) GAAHTTSMN1; SMN2KMT2AMEN1
SCHEMBL9170531 0.82 PLA2G2A (0.52) GAAHTTSMN1; SMN2KMT2AMEN1
SCHEMBL2664523 0.80 GAA (0.55) GAAHTTSMN1; SMN2KMT2AMEN1
SCHEMBL419102 0.79 ALOX5 (0.55) GAAHTTSMN1; SMN2KMT2AMEN1
SCHEMBL12806374 0.79 PLA2G2A (0.50) GAAKMT2AALDH1A1MAPTMAPK1
SCHEMBL419242 0.79 TDP1 (0.47) GAAHTTKMT2AALDH1A1MAPT
SCHEMBL31469962 0.78 HTT (0.48) GAAHTTSMN1; SMN2KMT2AMEN1
SCHEMBL14164865 0.77 GAA (0.47) GAAHTTSMN1; SMN2KMT2AMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10322998-B2 Heterogeneous foldamers containing α, β, and/or γ-amino acids WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2019-06-18 US disclosed
US-20120021530-A1 HETEROGENEOUS FOLDAMERS CONTAINING alpha, beta, and/or gamma-AMINO ACIDS WISCONSIN ALUMNI RESEARCH FOUNDATION 2012-01-26 US disclosed
US-7858737-B2 Heterogeneous foldamers containing α, β, and/or γ-amino acids WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2010-12-28 US disclosed
US-20040116654-A1 Heterogeneous foldamers containing alpha, beta, and/or gamma-amino acids NATIONAL SCIENCE FOUNDATION 2004-06-17 US disclosed
WO-2004018644-A2 HETEROGENEOUS FOLDAMERS CONTAINING α, β, AND/OR Ϝ-AMINO ACIDS WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2004-03-04 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10322998-B2 Heterogeneous foldamers containing α, β, and/or γ-amino acids DNPEP, PRKCSH, BCAT1 GAA 161/4885HTT 733/4885SMN1; SMN2 4002/4885
US-20120021530-A1 HETEROGENEOUS FOLDAMERS CONTAINING alpha, beta, and/or gamma-AMINO ACIDS DNPEP, PRKCSH, YWHAZ GAA 208/4885HTT 799/4885SMN1; SMN2 4171/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.